LAMMPS (19 Mar 2020)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:94)
  using 1 OpenMP thread(s) per MPI task
# bfo in a 3d periodic box

units 		metal
dimension 	3
boundary 	p p f
atom_style 	spin

# necessary for the serial algorithm (sametag)
atom_modify 	map array

lattice 	sc 3.96
Lattice spacing in x,y,z = 3.96 3.96 3.96
region 		box block 0.0 34.0 0.0 34.0 0.0 5.0
create_box 	1 box
Created orthogonal box = (0 0 0) to (134.64 134.64 19.8)
  1 by 1 by 1 MPI processor grid
create_atoms 	1 box
Created 5780 atoms
  create_atoms CPU = 0.00207901 secs

# setting mass, mag. moments, and interactions for bcc iron

mass		1 1.0
set 		group all spin/random 11 2.50
  5780 settings made for spin/random

pair_style 	hybrid/overlay spin/exchange 6.0 spin/magelec 4.5 spin/dmi 4.5
pair_coeff 	* * spin/exchange exchange 6.0 -0.01575 0.0 1.965
#pair_coeff 	* * spin/magelec magelec 4.5 0.000109 1.0 1.0 1.0
pair_coeff 	* * spin/magelec magelec 4.5 0.00109 1.0 1.0 1.0
pair_coeff 	* * spin/dmi dmi 4.5 0.00005 1.0 1.0 1.0

neighbor 	0.1 bin
neigh_modify 	every 10 check yes delay 20

#fix 		1 all precession/spin zeeman 0.001 0.0 0.0 1.0 anisotropy 0.01 1.0 0.0 0.0
fix 		1 all precession/spin anisotropy 0.0000033 0.0 0.0 1.0
fix_modify	1 energy yes

timestep	0.0001

compute 	out_mag    all spin
compute 	out_pe     all pe
compute 	out_ke     all ke
compute 	out_temp   all temp

variable 	magz      equal c_out_mag[3]
variable 	magnorm   equal c_out_mag[4]
variable 	emag      equal c_out_mag[5]
variable 	tmag      equal c_out_mag[6]

thermo          50
thermo_style    custom step time v_magnorm v_emag v_tmag temp etotal
thermo_modify   format float %20.15g

compute 	outsp all property/atom spx spy spz sp fmx fmy fmz
dump 		1 all custom 50 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[4] c_outsp[5] c_outsp[6] c_outsp[7]

min_style	spin
min_modify 	alpha_damp 1.0 discrete_factor 10.0
minimize        1.0e-10 0.0 1000 100
WARNING: Using 'neigh_modify every 1 delay 0 check yes' setting during minimization (../min.cpp:190)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
WARNING: Using spin pair style without nve/spin or neb/spin (../pair_spin.cpp:88)
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.1
  ghost atom cutoff = 6.1
  binsize = 3.05, bins = 45 45 7
  3 neighbor lists, perpetual/occasional/extra = 3 0 0
  (1) pair spin/exchange, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
  (2) pair spin/magelec, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
  (3) pair spin/dmi, perpetual, copy from (1)
      attributes: full, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 8.331 | 8.331 | 8.331 Mbytes
Step Time v_magnorm v_emag v_tmag Temp TotEng 
       0                    0   0.0100717228668283  -0.0819172086358897     14831.3069413956                    0  -0.0819172086358848 
      50                0.005 0.000106105812337003    -64.1537237421016    0.104264818055985                    0    -64.1537237421011 
     100                 0.01 7.95347901119144e-06    -65.7246948990358   0.0221943604064967                    0    -65.7246948990356 
     150                0.015 5.63006161138875e-07    -66.1482265152101   0.0085472877724348                    0    -66.1482265152089 
     200                 0.02 5.07390677383517e-07    -66.3114288519027  0.00361380451198708                    0    -66.3114288519012 
     250                0.025 3.28458336892231e-07    -66.3872059963515  0.00187753161968493                    0    -66.3872059963511 
     300                 0.03 1.93294839202864e-07     -66.430641863042  0.00121374398924599                    0    -66.4306418630428 
     350                0.035 1.13872157437693e-07     -66.461568509568 0.000954736871701507                    0    -66.4615685095675 
     400                 0.04 6.42075545620808e-08    -66.4876195742958 0.000854064736183609                    0    -66.4876195742954 
     450                0.045 3.44210513403008e-08    -66.5117616436528 0.000812909459005007                    0    -66.5117616436536 
     500                 0.05 1.80394981485933e-08     -66.535035988126 0.000789742875305133                    0    -66.5350359881254 
     550                0.055 9.54697157105863e-09    -66.5577061696949 0.000769860218895372                    0    -66.5577061696963 
     600                 0.06 5.22455110720346e-09    -66.5798382239523 0.000752941158466282                    0    -66.5798382239526 
     650                0.065 2.95172977724016e-09    -66.6015980978057 0.000745065216626277                    0    -66.6015980978057 
     700                 0.07  1.6727567441294e-09    -66.6233484071647 0.000752898926000619                    0    -66.6233484071653 
     750                0.075 9.17127001723567e-10    -66.6456135037774 0.000780491405791262                    0    -66.6456135037769 
     800                 0.08 4.72669535949609e-10    -66.6689812966982 0.000827942834401386                    0    -66.6689812966976 
     850                0.085 2.25696738407094e-10    -66.6939726229253 0.000890246383931885                    0    -66.6939726229243 
     900                 0.09  1.0030717061716e-10    -66.7208685437728 0.000955403731484674                    0     -66.720868543773 
     950                0.095 4.19867626359036e-11    -66.7494848991559  0.00100352240545389                    0    -66.7494848991554 
    1000                  0.1 1.64283478182092e-11     -66.778989952382  0.00101162410316333                    0    -66.7789899523816 
Loop time of 8.81793 on 1 procs for 1000 steps with 5780 atoms

100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

Minimization stats:
  Stopping criterion = max iterations
  Energy initial, next-to-last, final = 
      -0.0819172086359      -66.778399627     -66.7789899524
  Force two-norm initial, final = 0 0
  Force max component initial, final = 0 0
  Final line search alpha, max atom move = 0 0
  Iterations, force evaluations = 1000 1000

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3388     | 8.3388     | 8.3388     |   0.0 | 94.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.023951   | 0.023951   | 0.023951   |   0.0 |  0.27
Output  | 0.3172     | 0.3172     | 0.3172     |   0.0 |  3.60
Modify  | 0.034405   | 0.034405   | 0.034405   |   0.0 |  0.39
Other   |            | 0.1036     |            |       |  1.17

Nlocal:    5780 ave 5780 max 5780 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    1065 ave 1065 max 1065 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  92480 ave 92480 max 92480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 92480
Ave neighs/atom = 16
Neighbor list builds = 0
Dangerous builds = 0
Total wall time: 0:00:08
